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	hartrees
Energy at 0K	-132.368552
Energy at 298.15K	-132.370889
HF Energy	-131.902035
Nuclear repulsion energy	59.816069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3688	3408	27.74
2	A'	3568	3297	95.29
3	A'	2326	2149	116.73
4	A'	1704	1574	30.32
5	A'	1106	1022	16.87
6	A'	675	624	189.45
7	A'	585	541	89.62
8	A'	469	434	30.50
9	A"	3782	3494	48.38
10	A"	1249	1154	0.56
11	A"	755	697	40.07
12	A"	391	361	8.75

Atom	x (Å)	y (Å)	z (Å)
C1	-0.055	1.355	0.000
C2	0.000	0.164	0.000
N3	0.127	-1.183	0.000
H4	-0.109	2.410	0.000
H5	-0.223	-1.624	0.828
H6	-0.223	-1.624	-0.828

	C1	C2	N3	H4	H5	H6
C1		1.1925	2.5444	1.0560	3.0970	3.0970
C2	1.1925		1.3526	2.2486	1.9832	1.9832
N3	2.5444	1.3526		3.6002	1.0014	1.0014
H4	1.0560	2.2486	3.6002		4.1199	4.1199
H5	3.0970	1.9832	1.0014	4.1199		1.6562
H6	3.0970	1.9832	1.0014	4.1199	1.6562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.287	C2	C1	H4	179.748
C2	N3	H5	113.981	C2	N3	H6	113.981
H5	N3	H6	111.563

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CID/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for HCCNH2 (Ethynamine)

using model chemistry: CID/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)